Learning DFT

نویسندگان

چکیده

We present an extension of reverse engineered Kohn-Sham potentials from a density matrix renormalization group calculation towards the construction functional theory via deep learning. Instead applying machine learning to energy itself, we apply these techniques potentials. To this end develop scheme train neural network represent mapping local densities Finally, use up-scale simulation larger system sizes.

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ژورنال

عنوان ژورنال: European Physical Journal-special Topics

سال: 2021

ISSN: ['1951-6355', '1951-6401']

DOI: https://doi.org/10.1140/epjs/s11734-021-00095-z